N-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide

C14H14N2O3 — CID 103957153

IUPACN-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide
SMILESCCN(C(=O)c1ccc(O)c(O)c1)c1ccncc1
InChIInChI=1S/C14H14N2O3/c1-2-16(11-5-7-15-8-6-11)14(19)10-3-4-12(17)13(18)9-10/h3-9,17-18H,2H2,1H3
InChIKeySESMYAYFYKFHLP-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.16
Rot. Bonds3

About N-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide

N-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide (PubChem CID 103957153) has the molecular formula C14H14N2O3 and a molecular weight of 258.28 g/mol. Its IUPAC name is N-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound NameN-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide
PubChem CID103957153
Molecular FormulaC14H14N2O3
Molecular Weight258.28 g/mol
Exact Mass258.10
IUPAC NameN-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide
SMILESCCN(C(=O)c1ccc(O)c(O)c1)c1ccncc1
InChIInChI=1S/C14H14N2O3/c1-2-16(11-5-7-15-8-6-11)14(19)10-3-4-12(17)13(18)9-10/h3-9,17-18H,2H2,1H3
InChIKeySESMYAYFYKFHLP-UHFFFAOYSA-N
XLogP2.16
TPSA73.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-ethyl-N-pyridin-4-ylpyridine-4-carboxamide
CID 113236093
N-ethyl-N-(3-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956480
N-ethyl-4-(ethylamino)-3-methyl-N-pyridin-4-ylbenzamide
CID 106937429
3-bromo-N-ethyl-5-methyl-N-pyridin-4-ylbenzamide
CID 104854747
N-ethyl-3-hydroxy-2-methyl-N-pyridin-4-ylbenzamide
CID 106936106
N-ethyl-3-hydroxy-4-iodo-N-(4-methylphenyl)benzamide
CID 104627675
N-ethyl-N-(2-fluorophenyl)-3,4-dihydroxybenzamide
CID 103956769
ethane;N-ethyl-3,4-dihydroxy-N-methylbenzamide
CID 144926311
N-ethyl-N-pyridin-4-yl-4-(triazol-1-yl)benzamide
CID 75434197
N-ethyl-N-(4-fluorophenyl)-5-hydroxypyridine-3-carboxamide
CID 63859639
N-[3-[ethyl(phenyl)carbamoyl]phenyl]pyridine-4-carboxamide
CID 17221980
4-[[(4-carboxyphenyl)-ethylcarbamoyl]-ethylamino]benzoic acid;4-pyridin-4-ylpyridine
CID 139144652

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide?
The IUPAC name of N-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide (CID 103957153) is N-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide.
What is the SMILES notation for N-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide?
The canonical SMILES for N-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide is CCN(C(=O)c1ccc(O)c(O)c1)c1ccncc1.
What is the InChIKey of N-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide?
The InChIKey is SESMYAYFYKFHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3/c1-2-16(11-5-7-15-8-6-11)14(19)10-3-4-12(17)13(18)9-10/h3-9,17-18H,2H2,1H3.
What are the key properties of N-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide?
N-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide has a molecular weight of 258.28 g/mol, XLogP of 2.16, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,4-dihydroxy-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 103957153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).